1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid

C20H25NO3 — CID 21149890

IUPAC1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
SMILESCCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHBYXSFUWCGJZDU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.43
Rot. Bonds3

About 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid

1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid (PubChem CID 21149890) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid.

Molecular Properties

Compound Name1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
PubChem CID21149890
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
SMILESCCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5)
InChIKeyHBYXSFUWCGJZDU-UHFFFAOYSA-N
XLogP3.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
CID 125492661
2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-ol;propanoic acid
CID 71439946
(4S,4aS,8aR)-1-methyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 6543208
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
1-methyl-3-(2-methylprop-2-enyl)-2-phenylpyrrolidin-3-ol
CID 20651472
(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 76969825
1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-ol;propanoic acid;hydrochloride
CID 21151547
ethane;(2S,3R)-3-[(Z)-3-hydroxyprop-1-enyl]-1-methyl-2-phenylpyrrolidin-3-ol
CID 90765907
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
(5S,6R)-7-methyl-6-phenyl-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 124527239
(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
CID 24843033

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The IUPAC name of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid (CID 21149890) is 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid.
What is the SMILES notation for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The canonical SMILES for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid is CCC(=O)O.CN1CCC(O)(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
The InChIKey is HBYXSFUWCGJZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C3H6O2/c1-18-13-12-17(19,15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14;1-2-3(4)5/h2-11,16,19H,12-13H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid?
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid has a molecular weight of 327.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid is sourced from PubChem (CID 21149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).